V003-9840 Screening compound: 2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V003-9840 Screening compound: 2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V003-9840 Screening compound: 2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9840
2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V003-9840

Molecular Formula

C24H24F3NO5S (C24 H24 F3 NO5 S)

Compound Name

2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CC(C)CC(N(Cc1ccco1)Cc(cccc1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O)=O

InChI

InChI=1S/C24H24F3NO5S/c1-17(2)13-23(29)28(16-20-9-6-12-32-20)15-18-7-3-4-11-22(18)33-34(30,31)21-10-5-8-19(14-21)24(25,26)27/h3-12,14,17H,13,15-16H2,1-2H3

InChI Key

DGMODTWOKRNXON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.441

Distribution Coefficient, logD

5.441

Water Solubility, LogSw

-5.53

Polar Surface Area

59.519

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

-5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V003-9840 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-9840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9840?
Check Price and Availability of V003-9840, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-9840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9840
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V003-9840 available by request